methyl (2S)-2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(E)-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)/C=C/C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-29-22(28)19(15-26)23-20(27)13-12-17-14-25(18-10-6-3-7-11-18)24-21(17)16-8-4-2-5-9-16/h2-14,19,26H,15H2,1H3,(H,23,27)/b13-12+/t19-/m0/s1